SCHEMBL1110145

SCHEMBL1110145

CCCCC(C(=O)O)N(c1ccc2cc(-c3nc(-c4ccccc4)no3)ccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
TPH1 P17752 2/20 0.38
S1PR1 P21453 4/20 0.38
S1PR5 Q9H228 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
S1PR4 O95977 2/20 0.38
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37
MMP12 P39900 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1110250 0.97 MMP12 (0.38) KDM4EHSD17B10MEN1ALDH1A1TP53
SCHEMBL1110146 0.90 MMP2 (0.36) TP53BCHEACHES1PR1S1PR5
SCHEMBL1110220 0.89 NPC1 (0.42) KDM4EALDH1A1SMN1; SMN2BCHEACHE
SCHEMBL1321251 0.89 MMP12 (0.36) ALDH1A1KMT2AMMP2MMP9MMP8
SCHEMBL1110207 0.88 ALDH1A1 (0.45) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1110163 0.88 PPARG (0.41) S1PR1MAPTL3MBTL1
SCHEMBL1110323 0.87 MMP12 (0.38) ALDH1A1KMT2AMMP2MMP9MMP8
SCHEMBL1110399 0.87 MMP12 (0.37) KMT2AS1PR1S1PR5RAB9AS1PR4
SCHEMBL1110486 0.86 MMP12 (0.35) ALDH1A1KMT2AMMP2MMP9MMP8
SCHEMBL1110342 0.86 MMP2 (0.34) KDM4EHSD17B10ALDH1A1TP53KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
EP-2279173-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 KDM4E 1402/4885HSD17B10 2147/4885MEN1 3970/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.